Theoretical study of the reversible photoconversion mechanism in Dronpa. - Jun Koseki; Yukiumi Kita; Umpei Nagashima; Masanori Tachikawa (ICCS, 2011)

Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of base pairs. - Masashi Daido; Yukio Kawashima; Masanori Tachikawa (J. Comput. Chem., 2013)

Why is N···Be distance of NH3H+···DBeH shorter than that of NH3D+···HBeH? paradoxical geometrical isotope effects for partially isotope-substituted dihydrogen-bonded isotopomers. - Taro Udagawa; Masanori Tachikawa (J. Comput. Chem., 2014)

H/D isotope effect on charge-inverted hydrogen-bonded systems: Systematic classification of three different types in H3XH...YH3 (X = C, Si, or Ge, and Y = B, Al, or Ga) with multicomponent calculation. - Taro Udagawa; Masanori Tachikawa (J. Comput. Chem., 2015)

Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile. - Yusuke Kanematsu; Masanori Tachikawa; Yu Takano (J. Comput. Chem., 2016)

A multicomponent QM study of H2 dissociation on small aluminum cluster. - Taro Udagawa; Kimichi Suzuki; Masanori Tachikawa (ICCS, 2017)

Reduction of OH vibrational frequencies in amino acids by positron attachment. - Yutaro Sugiura; Kento Suzuki; Toshiyuki Takayanagi; Yukiumi Kita; Masanori Tachikawa (J. Comput. Chem., 2018)

A path integral molecular dynamics study on intermolecular hydrogen bond of acetic acid-arsenic acid anion and acetic acid-phosphoric acid anion clusters. - Yukio Kawashima; Keisuke Sawada; Takahito Nakajima; Masanori Tachikawa (J. Comput. Chem., 2019)

Positron-electron correlation-polarization potential model for positron binding in polyatomic molecules. - Yutaro Sugiura; Haruya Suzuki; Takuma Otomo; Takaaki Miyazaki; Toshiyuki Takayanagi; Masanori Tachikawa (J. Comput. Chem., 2020)

Comprehensive Analysis of Deuterium Isotope Effects on Ionic H3O+...π Interactions Using Multi-Component Quantum Mechanics Methods. - Taro Udagawa; Yusuke Kanematsu; Takayoshi Ishimoto; Masanori Tachikawa (J. Comput. Chem., 2025)